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3-METHYL-2,4,4,5,6-PENTAFLUOROCYCLOHEXA-2,5-DIEN-1-ONE
SpectraBase Compound ID 76iqAm3jNRJ
InChI InChI=1S/C7H3F5O/c1-2-3(8)5(13)4(9)6(10)7(2,11)12/h1H3
InChIKey VSGJVEDGJDGDST-UHFFFAOYSA-N
Mol Weight 198.09 g/mol
Molecular Formula C7H3F5O
Exact Mass 198.010406 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvK2cG9l2G1
Name 3-METHYL-2,4,4,5,6-PENTAFLUOROCYCLOHEXA-2,5-DIEN-1-ONE
Comments C=20-25%. SCALE INVERTED.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H3F5O
InChI InChI=1S/C7H3F5O/c1-2-3(8)5(13)4(9)6(10)7(2,11)12/h1H3
InChIKey VSGJVEDGJDGDST-UHFFFAOYSA-N
Instrument Name Varian A56/60A
Literature Reference A.A.SHTARK, V.D.SHTEINGARTS, A.G.MAIDANYUK (1974) Izv.Sibir.Otdel.Akad.NaukSer.Khim.(Russ. Lang.): N6, 117-124.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl